2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

C10H15F3N4O — CID 80846202

IUPAC2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-6-8(14)16-7(2)17-9(6)15-3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyIZVOYZKRJAAEIQ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.67
Rot. Bonds5

About 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80846202) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80846202
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-6-8(14)16-7(2)17-9(6)15-3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyIZVOYZKRJAAEIQ-UHFFFAOYSA-N
XLogP1.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80846202) is 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is IZVOYZKRJAAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6-8(14)16-7(2)17-9(6)15-3-4-18-5-10(11,12)13/h3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80846202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).